CAS RN: 2136270-20-5
SPOP-IN-6b
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250126 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2136270-20-5
- Purity/Analytical Methods: >99.0%
2136270-20-5 / 6-imino-11-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Basic Information
CAS
2136270-20-5
Multi CAS
No
Molecular Formula
C28H32N6O3
Molecular Weight
500.600000
Exact Mass
500.253589
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=CC=C4)C(=O)NCCCN5CCOCC5
InChI
InChI=1S/C28H32N6O3/c1-20-7-5-13-34-25(20)31-26-23(28(34)36)19-22(24(29)33(26)14-10-21-8-3-2-4-9-21)27(35)30-11-6-12-32-15-17-37-18-16-32/h2-5,7-9,13,19,29H,6,10-12,14-18H2,1H3,(H,30,35)
InChIKey
RYTGHNMOSCSWJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
20
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
141.9
TPSA
104.72
LogP / Solubility
WLOGP
2.13
MLOGP
1.91
XLogP3
1.9
Consensus LogP
1.98
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 2136287-62-0 “7-(benzyloxy)-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione, hemihydrate” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2136287-62-0.png)
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